From aede7e0121a037fd7226a8bfd558eb21a932fa5a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 14 Aug 2019 21:30:25 +0000
Subject: [PATCH] Added additional functions to ease Ulm2 poststating
---
src/tspoststat.c | 7 ++++---
1 files changed, 4 insertions(+), 3 deletions(-)
diff --git a/src/tspoststat.c b/src/tspoststat.c
index 6a4b8fb..f518000 100644
--- a/src/tspoststat.c
+++ b/src/tspoststat.c
@@ -105,11 +105,11 @@
ts_uint tstep,n;
ts_char *number;
struct dirent **list;
- ts_double l1,l2,l3;
+ ts_double l1,l2,l3,hbar;
int count;
ts_fprintf(stderr,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__);
- fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb\n");
+ fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb hbar\n");
count=scandir(".",&list,0,alphasort);
@@ -136,7 +136,8 @@
vesicle_volume(vesicle);
vesicle_area(vesicle);
gyration_eigen(vesicle,&l1,&l2,&l3);
- fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3, (ts_double)count_bonds_with_energy(vesicle->blist)/(ts_double)vesicle->blist->n),
+ hbar=vesicle_meancurvature(vesicle)/vesicle->area;
+ fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3, (ts_double)count_bonds_with_energy(vesicle->blist)/(ts_double)vesicle->blist->n,hbar);
tstep++;
write_histogram_data(atoi(number), vesicle);
free(number);
--
Gitblit v1.9.3